SCHEMBL28050441

SCHEMBL28050441

O=C(O)c1nnc(-c2ccccc2)[nH]1.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
PIN1 Q13526 5/20 0.49
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP1A2 P05177 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
CYP2C19 P33261 1/20 0.47
RNASEH1 O60930 1/20 0.44
ERCC1 P07992 1/20 0.44
FEN1 P39748 1/20 0.44
ERCC4 Q92889 1/20 0.44
BTK Q06187 1/20 0.41
DHODH Q02127 1/20 0.41
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
GLA P06280 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27894560 0.98 NPC1 (0.52) NPC1RAB9APIN1POLBL3MBTL1
SCHEMBL11238251 0.83 NPC1 (0.49) NPC1RAB9APIN1POLBL3MBTL1
SCHEMBL4013450 0.83 NPC1 (0.49) NPC1RAB9APIN1POLBL3MBTL1
SCHEMBL15754676 0.81 NPC1 (0.47) NPC1RAB9APIN1POLBL3MBTL1
SCHEMBL24380269 0.79 L3MBTL1 (0.47) NPC1RAB9APIN1POLBL3MBTL1
SCHEMBL24380353 0.79 POLB (0.47) NPC1RAB9APIN1POLBL3MBTL1
SCHEMBL384952 0.76 NPC1 (0.61) NPC1RAB9APIN1POLBL3MBTL1
SCHEMBL18662554 0.76 PRSS1 (0.45) NPC1RAB9APIN1POLBL3MBTL1
SCHEMBL19611826 0.75 BTK (0.47) NPC1RAB9APIN1POLBL3MBTL1
SCHEMBL2177064 0.75 MAPT (0.49) NPC1RAB9APOLBL3MBTL1CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105189484-A Cxcr7 antagonists CHEMOCENTRYX INC 2015-12-23 CN disclosed